6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline

C40H26N4 — CID 145180126

IUPAC6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
SMILESc1ccc(-n2c(-c3ccc(-c4cccc(-c5nc6ccccc6n6c5cc5ccccc56)c4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C40H26N4/c1-2-14-32(15-3-1)43-36-19-8-6-17-34(36)42-40(43)28-23-21-27(22-24-28)29-12-10-13-31(25-29)39-38-26-30-11-4-7-18-35(30)44(38)37-20-9-5-16-33(37)41-39/h1-26H
InChIKeyKSQCCSHPEMAZKT-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.98
Rot. Bonds4

About 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline

6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline (PubChem CID 145180126) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
PubChem CID145180126
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
SMILESc1ccc(-n2c(-c3ccc(-c4cccc(-c5nc6ccccc6n6c5cc5ccccc56)c4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C40H26N4/c1-2-14-32(15-3-1)43-36-19-8-6-17-34(36)42-40(43)28-23-21-27(22-24-28)29-12-10-13-31(25-29)39-38-26-30-11-4-7-18-35(30)44(38)37-20-9-5-16-33(37)41-39/h1-26H
InChIKeyKSQCCSHPEMAZKT-UHFFFAOYSA-N
XLogP9.98
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline
CID 145180354
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline
CID 145180162
9-phenyl-21-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122762
6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180375
1-phenyl-2-[4-[3-[4-[4-(4,5,6-trimethylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]benzimidazole
CID 147177465
9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393336
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320
2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 167136922
2-phenyl-1-(4-pyren-2-ylphenyl)benzimidazole
CID 90362549
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
1-phenyl-2-[4-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 155306860

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline?
The IUPAC name of 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline (CID 145180126) is 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline.
What is the SMILES notation for 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline?
The canonical SMILES for 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline is c1ccc(-n2c(-c3ccc(-c4cccc(-c5nc6ccccc6n6c5cc5ccccc56)c4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline?
The InChIKey is KSQCCSHPEMAZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-2-14-32(15-3-1)43-36-19-8-6-17-34(36)42-40(43)28-23-21-27(22-24-28)29-12-10-13-31(25-29)39-38-26-30-11-4-7-18-35(30)44(38)37-20-9-5-16-33(37)41-39/h1-26H.
What are the key properties of 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline?
6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline has a molecular weight of 562.68 g/mol, XLogP of 9.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline is sourced from PubChem (CID 145180126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).